1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene

C9H10BrFO2 — CID 69098703

IUPAC1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
SMILESCCOc1cc(F)c(Br)cc1OC
InChIInChI=1S/C9H10BrFO2/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5H,3H2,1-2H3
InChIKeyXPAGJNILFJSAKM-UHFFFAOYSA-N
MW249.08 g/mol
LogP3.00
Rot. Bonds3

About 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene

1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene (PubChem CID 69098703) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
PubChem CID69098703
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
SMILESCCOc1cc(F)c(Br)cc1OC
InChIInChI=1S/C9H10BrFO2/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5H,3H2,1-2H3
InChIKeyXPAGJNILFJSAKM-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
CID 155923682
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
(2-bromo-4-ethoxy-5-methoxyphenyl)methyl-ethylazanium
CID 2215425

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene?
The IUPAC name of 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene (CID 69098703) is 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene.
What is the SMILES notation for 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene?
The canonical SMILES for 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene is CCOc1cc(F)c(Br)cc1OC.
What is the InChIKey of 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene?
The InChIKey is XPAGJNILFJSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene?
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene has a molecular weight of 249.08 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene is sourced from PubChem (CID 69098703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).